N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide

C14H19NO3 — CID 15381971

IUPACN-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide
SMILESC=Cc1cc(OC)c(OC)cc1CCNC(C)=O
InChIInChI=1S/C14H19NO3/c1-5-11-8-13(17-3)14(18-4)9-12(11)6-7-15-10(2)16/h5,8-9H,1,6-7H2,2-4H3,(H,15,16)
InChIKeyGTPCVTJHDOPUJE-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds6

About N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide

N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 15381971) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID15381971
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide
SMILESC=Cc1cc(OC)c(OC)cc1CCNC(C)=O
InChIInChI=1S/C14H19NO3/c1-5-11-8-13(17-3)14(18-4)9-12(11)6-7-15-10(2)16/h5,8-9H,1,6-7H2,2-4H3,(H,15,16)
InChIKeyGTPCVTJHDOPUJE-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide
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(2-ethenyl-4,5-dimethoxyphenyl)methanol
CID 121218143
[5-(2-acetamidoethyl)-2-ethyl-4-methoxyphenyl] acetate
CID 91751232
N-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethyl]acetamide
CID 86043168
N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine
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N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide
CID 14361386
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]benzamide
CID 11772139
1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 115169404
N-[2-(4-buta-1,3-dienyl-2,5-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
CID 171600045
N-[2-(4,5-dimethoxy-1-oxo-1λ4,2,3-benzotrithiol-7-yl)ethyl]acetamide
CID 11724398

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide (CID 15381971) is N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide is C=Cc1cc(OC)c(OC)cc1CCNC(C)=O.
What is the InChIKey of N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is GTPCVTJHDOPUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-11-8-13(17-3)14(18-4)9-12(11)6-7-15-10(2)16/h5,8-9H,1,6-7H2,2-4H3,(H,15,16).
What are the key properties of N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide?
N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 15381971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).